Hydrazine;1,2,3-trinitrobenzene

C₆H₇N₅O₆ — CID 174855794

About Hydrazine;1,2,3-trinitrobenzene

Hydrazine;1,2,3-trinitrobenzene (PubChem CID 174855794) has the molecular formula C₆H₇N₅O₆ and a molecular weight of 245.15 g/mol. Its IUPAC name is hydrazine;1,2,3-trinitrobenzene.

Molecular Properties

• Compound Name: Hydrazine;1,2,3-trinitrobenzene
• PubChem CID: 174855794
• Molecular Formula: C₆H₇N₅O₆
• Molecular Weight: 245.15 g/mol
• Exact Mass: 245.04
• IUPAC Name: hydrazine;1,2,3-trinitrobenzene
• SMILES: NN.O=[N+]([O-])c1cccc([N+](=O)[O-])c1[N+](=O)[O-]
• InChI: InChI=1S/C6H3N3O6.H4N2/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;1-2/h1-3H;1-2H2
• InChIKey: FLPUHPQIAKKIHT-UHFFFAOYSA-N
• XLogP: 0.23
• TPSA: 181.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	245.15
LogP ≤ 5	0.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Hydrazine;1,2,3-trinitrobenzene?

The IUPAC name of Hydrazine;1,2,3-trinitrobenzene (CID 174855794) is hydrazine;1,2,3-trinitrobenzene.

What is the SMILES notation for Hydrazine;1,2,3-trinitrobenzene?

The canonical SMILES for Hydrazine;1,2,3-trinitrobenzene is NN.O=[N+]([O-])c1cccc([N+](=O)[O-])c1[N+](=O)[O-].

What is the InChIKey of Hydrazine;1,2,3-trinitrobenzene?

The InChIKey is FLPUHPQIAKKIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O6.H4N2/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;1-2/h1-3H;1-2H2.

What are the key properties of Hydrazine;1,2,3-trinitrobenzene?

Hydrazine;1,2,3-trinitrobenzene has a molecular weight of 245.15 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Hydrazine;1,2,3-trinitrobenzene is sourced from PubChem (CID 174855794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174855794 — identifiers, structure, computed properties (public domain)

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